105372-70-1
AlkaPlorer ID: AK014403
Synonym: None
IUPAC Name: (1S,3S)-5-[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Structure
SMILES: CN1C=NC(SC2=C(O)C=C(O)C3=C2C[C@@H](C(=O)O)N[C@H]3CC2=CC=C(O)C=C2)=C1C[C@H](N)C(=O)O
InChI: InChI=1S/C24H26N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,27,29-31H,6-8,25H2,1H3,(H,32,33)(H,34,35)/t14-,15-,16-/m0/s1
InChIKey: BBIABWPNIDKRLX-JYJNAYRXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dermasterias imbricata | Dermasterias | Poraniidae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 514.5600000000003
TPSA？: 191.16
MolLogP？: 1.5252
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|